Grundinformationen
- CAS
108-96-3- Standard-SMILES
O=c1cc[nH]cc1- InChIKey
GCNTZFIIOFTKIY-UHFFFAOYSA-N- Summenformel
- C5H5NO
- Durchschnittliche Molmasse
- 95,1 g/mol
- Monoisotopische Masse
- 95,03711378
Überblick
4-pyridone is the simplest member of the class of pyridin-4-ones, that is 1,4-dihydropyridine in which the hydrogens at position 4 have been replaced by an oxo group. It is a tautomer of a 4-hydroxypyridine.
Namen und Bezeichner
- Bevorzugter Name
- 4-Hydroxypyridine
- IUPAC
- 1H-pyridin-4-one
- Lokaler Name
- Pyridin-4-ol
- Englischer Name
- 4-Hydroxypyridine
- Summenformel
- C5H5NO
- Molmasse
- 95.1
Namen und Synonyme
4-HYDROXYPYRIDINE626-64-24-PyridinolDTXSID2052310DTXCID9030882CHEBI:87614RefChem:1070836pyridin-4-olpyridin-4(1H)-one108-96-34(1H)-Pyridinone4-Pyridone
Weitere Namen anzeigen
4-Hydroxypyridine,97%4HYDROXYPRIDINE4-Hydroxypyride1H-Pyridin-4-olCompound Fr140554-HydroxypyridoneTIMTEC-BB SBB000030
1H-pyridin-4-one4-Pyridinone4-Oxopyridine4-Pyridolgamma-Hydroxypyridinegamma-Pyridone4(1H)-Pyridone.gamma.-Pyridone
Datenbank-Bezeichner
- CAS
108-96-3、3454-03-3、626-64-2- PubChem CID
- 12290
- DTXSID
DTXSID2052310- ChEMBL
CHEMBL237459- ChEBI
CHEBI:133125- UNII
- 3P2MV07G53
- EC Number
- 203-633-2、210-958-3、222-380-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,3
- Polarare Oberfläche (TPSA)
- 29,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 121
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyridines
Vapor Pressure0.39 [mmHg]
Physical DescriptionTan or brown powder; [Alfa Aesar MSDS]
Collision Cross Section113.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2052310]
Physikochemische Eigenschaften
- Schmelzpunkt
- 150 · 150-151 °C (lit.)
- Siedepunkt
- 230 · 230-235 °C/12 mmHg (lit.)
- Dichte
- 1.1418 · 1.1418 (rough estimate)
- Brechungsindex
- 1.5939 · 1.5939 (estimate)
- Flammpunkt
- 221 °C · 221 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (86.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
REACH registered substance: Pyridin-4-ol (EC: 210-958-3)
4(1H)-Pyridinone: Does not have an individual approval but may be used under an appropriate group standard
4-Pyridinol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 923 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See Pyridine.
Hazard Classes and CategoriesAcute Tox. 4 (86.3%)
Sicherheitsdaten
- F
- 3-8-10
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- RTECS-Nr.
- UU7701450
- risk_code
- 36/37/38-41-37/38-22
- hazard_code
- Xi,Xn
- hazard_note
- Harmful/Irritant
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
4(1H)-Pyridinone: ACTIVE
4-Pyridinol: ACTIVE
Anwendungen
Verwenden4-Hydroxypyridine was used in the synthesis of (Ag3MoO3F3) (Ag3MoO4)Cl by hydro(solvato)thermal methods. It was used as model compound to study the natural photodegradation of representative aquatic environmental contaminants.
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